5-[(3R)-1-methylpyrrolidin-3-yl]-6-pyridin-3-ylpyridine-2-carboxamide

C16H18N4O — CID 156695484

IUPAC5-[(3R)-1-methylpyrrolidin-3-yl]-6-pyridin-3-ylpyridine-2-carboxamide
SMILESCN1CC[C@H](c2ccc(C(N)=O)nc2-c2cccnc2)C1
InChIInChI=1S/C16H18N4O/c1-20-8-6-12(10-20)13-4-5-14(16(17)21)19-15(13)11-3-2-7-18-9-11/h2-5,7,9,12H,6,8,10H2,1H3,(H2,17,21)/t12-/m0/s1
InChIKeyNEWSGZHFJKKSJL-LBPRGKRZSA-N
MW282.35 g/mol
LogP1.66
Rot. Bonds3

About 5-[(3R)-1-methylpyrrolidin-3-yl]-6-pyridin-3-ylpyridine-2-carboxamide

5-[(3R)-1-methylpyrrolidin-3-yl]-6-pyridin-3-ylpyridine-2-carboxamide (PubChem CID 156695484) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 5-[(3R)-1-methylpyrrolidin-3-yl]-6-pyridin-3-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(3R)-1-methylpyrrolidin-3-yl]-6-pyridin-3-ylpyridine-2-carboxamide
PubChem CID156695484
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name5-[(3R)-1-methylpyrrolidin-3-yl]-6-pyridin-3-ylpyridine-2-carboxamide
SMILESCN1CC[C@H](c2ccc(C(N)=O)nc2-c2cccnc2)C1
InChIInChI=1S/C16H18N4O/c1-20-8-6-12(10-20)13-4-5-14(16(17)21)19-15(13)11-3-2-7-18-9-11/h2-5,7,9,12H,6,8,10H2,1H3,(H2,17,21)/t12-/m0/s1
InChIKeyNEWSGZHFJKKSJL-LBPRGKRZSA-N
XLogP1.66
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-1-methylpyrrolidin-3-yl]-6-pyridin-3-ylpyridine-2-carboxamide?
The IUPAC name of 5-[(3R)-1-methylpyrrolidin-3-yl]-6-pyridin-3-ylpyridine-2-carboxamide (CID 156695484) is 5-[(3R)-1-methylpyrrolidin-3-yl]-6-pyridin-3-ylpyridine-2-carboxamide.
What is the SMILES notation for 5-[(3R)-1-methylpyrrolidin-3-yl]-6-pyridin-3-ylpyridine-2-carboxamide?
The canonical SMILES for 5-[(3R)-1-methylpyrrolidin-3-yl]-6-pyridin-3-ylpyridine-2-carboxamide is CN1CC[C@H](c2ccc(C(N)=O)nc2-c2cccnc2)C1.
What is the InChIKey of 5-[(3R)-1-methylpyrrolidin-3-yl]-6-pyridin-3-ylpyridine-2-carboxamide?
The InChIKey is NEWSGZHFJKKSJL-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18N4O/c1-20-8-6-12(10-20)13-4-5-14(16(17)21)19-15(13)11-3-2-7-18-9-11/h2-5,7,9,12H,6,8,10H2,1H3,(H2,17,21)/t12-/m0/s1.
What are the key properties of 5-[(3R)-1-methylpyrrolidin-3-yl]-6-pyridin-3-ylpyridine-2-carboxamide?
5-[(3R)-1-methylpyrrolidin-3-yl]-6-pyridin-3-ylpyridine-2-carboxamide has a molecular weight of 282.35 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-1-methylpyrrolidin-3-yl]-6-pyridin-3-ylpyridine-2-carboxamide is sourced from PubChem (CID 156695484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).